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160013-48-9 | 2H-Imidazo[4,5-b]pyrazin-2-one, octahydro-1,3,4,7-tetranitro-
CAS No: 160013-48-9 Catalog No: AG001RLH MDL No:
Product Description
Catalog Number:
AG001RLH
Chemical Name:
2H-Imidazo[4,5-b]pyrazin-2-one, octahydro-1,3,4,7-tetranitro-
CAS Number:
160013-48-9
Molecular Formula:
C5H6N8O9
Molecular Weight:
322.1493
IUPAC Name:
1,3,4,7-tetranitro-3a,5,6,7a-tetrahydroimidazo[4,5-b]pyrazin-2-one
InChI:
InChI=1S/C5H6N8O9/c14-5-8(12(19)20)3-4(9(5)13(21)22)7(11(17)18)2-1-6(3)10(15)16/h3-4H,1-2H2
InChI Key:
OTMTZUASOOMKNW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CCN(C2C1N([N+](=O)[O-])C(=O)N2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.15g/mol
Monoisotopic Mass:
322.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
213A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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